Unboxing Industry-Standard AI Models for Male Fertility Prediction with SHAP.

Infertility is a social stigma for individuals, and male factors cause approximately 30% of infertility. Despite this, male infertility is underrecognized and underrepresented as a disease. According to the World Health Organization (WHO), changes in lifestyle and environmental factors are the prime reasons for the declining rate of male fertility. Artificial intelligence (AI)/machine learning (ML) models have become an effective solution for early fertility detection. Seven industry-standard ML models are used: support vector machine, random forest (RF), decision tree, logistic regression, naïve bayes, adaboost, and multi-layer perception to detect male fertility. Shapley additive explanations (SHAP) are vital tools that examine the feature's impact on each model's decision making. On these, we perform a comprehensive comparative study to identify good and poor classification models. While dealing with the all-above-mentioned models, the RF model achieves an optimal accuracy and area under curve (AUC) of 90.47% and 99.98%, respectively, by considering five-fold cross-validation (CV) with the balanced dataset. Furthermore, we provide the SHAP explanations of existing models that attain good and poor performance. The findings of this study show that decision making (based on ML models) with SHAP provides thorough explanations for detecting male fertility, as well as a reference for clinicians for further treatment planning.

Role of Cr Doping on the Structure, Electronic Structure, and Electrochemical Properties of BiFeO3 Nanoparticles.

BiFe1−xCrxO3, (0 ≤ x ≤ 10) nanoparticles were prepared through the sol−gel technique. The synthesized nanoparticles were characterized using various techniques, viz., X-ray diffraction, high-resolution field emission scanning electron microscopy (HRFESEM), energy dispersive spectroscopy (EDS), UV−Vis absorption spectroscopy, photoluminescence (PL), dc magnetization, near-edge X-ray absorption spectroscopy (NEXAFS) and cyclic voltammetry (CV) measurements, to investigate the structural, morphological, optical, magnetic and electrochemical properties. The structural analysis showed the formation of BiFeO3 with rhombohedral (R3c) as the primary phase and Bi25FeO39 as the secondary phase. The secondary phase percentage was found to reduce with increasing Cr content, along with reductions in crystallite sizes, lattice parameters and enhancement in strain. Nearly spherical shape morphology was observed via HRFESEM with Bi, Fe, Cr and O as the major contributing elements. The bandgap reduced from 1.91 to 1.74 eV with the increase in Cr concentration, and PL spectra revealed emissions in violet, blue and green regions. The investigation of magnetic field (H)-dependent magnetization (M) indicated a significant effect of Cr substitution on the magnetic properties of the nanoparticles. The ferromagnetic character of the samples was found to increase with the increase in the Cr concentration and the increase in the saturation magnetization. The Fe (+3/+4) was dissolved in mixed-valence states, as found through NEXAFS analysis. Electrochemical studies showed that 5%-Cr-doped BFO electrode demonstrated outstanding performance for supercapacitors through a specific capacitance of 421 F g−1 measured with a scan rate of 10 mV s−1. It also demonstrated remarkable cyclic stability through capacitance retention of >78% for 2000 cycles.

Influence of Fe and Cu Co-Doping on Structural, Magnetic and Electrochemical Properties of CeO2 Nanoparticles.

The nanoparticles of CeO2, Ce0.98Fe0.02O2, and Ce0.78Fe0.02Cu0.20O2 were synthesized using the co-precipitation-synthesis technique. The effect of co-doping of Fe and Cu on structural, optical, and magnetic properties as well as specific capacitance have been studied using X-ray diffraction (XRD), scanning-electron microscopy (SEM), UV-visible spectroscopy, Raman spectroscopy, dc magnetization, and electrochemical measurements at room temperature. The results of the XRD analysis infer that all the samples have a single-phase nature and exclude the formation of any extra phase. Particle size has been found to reduce as a result of doping and co-doping. The smallest particle size was obtained to be 5.59 nm for Ce0.78Fe0.02Cu0.20O2. The particles show a spherical-shape morphology. Raman active modes, corresponding to CeO2, were observed in the Raman spectra, with noticeable shifting with doping and co-doping indicating the presence of defect states. The bandgap, calculated using UV-Vis spectroscopy, showed relatively low bandgap energy (1.7 eV). The dc magnetization results indicate the enhancement of the magnetic moment in the samples, with doping and co-doping. The highest value of saturation magnetization (1.3 × 10-2 emu/g) has been found for Ce0.78Fe0.02Cu0.20O2 nanoparticles. The electrochemical behavior studied using cyclic-voltammetry (CV) measurements showed that the Ce0.98Fe0.02O2 electrode exhibits superior-specific capacitance (~532 F g-1) along with capacitance retention of ~94% for 1000 cycles.

Electronic Structure and Room Temperature Ferromagnetism in Gd-doped Cerium Oxide Nanoparticles for Hydrogen Generation via Photocatalytic Water Splitting.

Enhanced visible light photocatalytic activity of Gd-doped CeO2 nanoparticles (NPs) is experimentally demonstrated, whereas there are very few reports on this mechanism with rare earth doping. All-pure and Gd-doped CeO2 NPs are synthesized using a coprecipitation method and characterized using X-ray diffraction (XRD), absorption spectroscopy, surface-enhanced Raman Spectroscopy (SERS), X-ray photoelectron spectroscopy (XPS), and superconducting quantum interference device (SQUID). The effect of Gd-doping on properties of CeO2 is discussed along with defects and oxygen vacancies generation. The XRD confirms the incorporation of Gd3+ at the Ce3+/Ce4+ site by keeping the crystal structure same. The average particle size from transmission electron microscopy (TEM) images is in the range of 5-7 nm. The XPS spectra of Ce 3d, O 1s, and Gd 4d exhibits the formation of oxygen vacancies to maintain the charge neutrality when Ce4+ changes to Ce3+. The gradual increase in hydrogen production is observed with increasing Gd concentration. The observed results are in good correlation with the characterization results and a mechanism of water splitting is proposed on the basis of analyses. The absorption spectra reveal optical band gap (2.5-2.7 eV) of samples, showing band gap narrowing leads to desired optical absorbance and photoactivity of NPs.